{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.391245 0.627872 0.910611 ] [ 0.108755 0.127872 0.589389 ] [ 0.891245 0.872128 0.410611 ] [ 0.608755 0.372128 0.089389 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.033992 0.190859 0.20195 ] [ 0.466008 0.690859 0.29805 ] [ 0.966008 0.809141 0.79805 ] [ 0.533992 0.309141 0.70195 ] [ 0.815313 0.151001 0.061108 ] [ 0.292259 0.184605 0.106139 ] [ 0.184687 0.848999 0.938892 ] [ 0.707741 0.815395 0.893861 ] [ 0.546729 0.429315 0.849265 ] [ 0.028059 0.628695 0.740405 ] [ 0.471941 0.128695 0.759595 ] [ 0.953271 0.929315 0.650735 ] [ 0.792259 0.315395 0.606139 ] [ 0.315313 0.348999 0.561108 ] [ 0.684687 0.651001 0.438892 ] [ 0.207741 0.684605 0.393861 ] [ 0.046729 0.070685 0.349265 ] [ 0.528059 0.871305 0.240405 ] [ 0.971941 0.371305 0.259595 ] [ 0.453271 0.570685 0.150735 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nb" "Nb" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.2189168286 "source-unit" "angstrom" } "b" { "source-value" 8.07626675 "source-unit" "angstrom" } "c" { "source-value" 7.79384315394 "source-unit" "angstrom" } "beta" { "source-value" 93.4036486731 "source-unit" "degree" } }